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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL86489
Molecular formula	C28H26N4O4
IUPAC name	2-[3-[[2-(1H-indol-3-yl)acetyl]amino]-6-oxo-11-propylbenzo[b][1,4]benzodiazepin-5-yl]acetic acid
Molecular weight	482.54
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	4.1
Synonyms	SCHEMBL9177802 [8-(2-1H-Indol-3-yl-acetylamino)-11-oxo-5-propyl-5,11-dihydro-dibenzo[b,e][1,4]diazepin-10-yl]-acetic acid BDBM50286234 L013051
Inchi Key	BOLITTSKJVCYEH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H26N4O4/c1-2-13-31-23-10-6-4-8-21(23)28(36)32(17-27(34)35)25-15-19(11-12-24(25)31)30-26(33)14-18-16-29-22-9-5-3-7-20(18)22/h3-12,15-16,29H,2,13-14,17H2,1H3,(H,30,33)(H,34,35)
PubChem CID	19934544
ChEMBL	CHEMBL86489
IUPHAR	N/A
BindingDB	50286234
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
28906	Endothelin receptor type B	P21451	Ednrb	Rattus norvegicus (Rat)	442
28905	Endothelin-1 receptor	P25101	EDNRA	Homo sapiens (Human)	427

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